Guillaume Fraux

We are missing copy and move constructors in the CPU and CUDA `SphericalHarmonics` classes, we should add them!

Add Julia bindings

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This will require multiple steps: - [ ] Register the C package with [Yggdrasil](https://github.com/JuliaPackaging/Yggdrasil), creating a Sphericart_jll package. This will require making sure we can cross-compile the C++ code from...

Collect code coverage

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This will require a new CI job. For C and C++ code coverage, we will need to build the code with the `-coverage` gcc/clang flag; then running the code (from...

Windows support

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This is a WIP, trying to build the code and run the tests on Windows, using the MSVC compiler since that's the one Python requires.

This would be the first step to be able to try sphericart in rascaline. This should be relatively easy, since sphericart is small I would always statically link it, removing...

Interface to metatensor to use arbitrary machine learning models as collective variables

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### Description This PR add an interface using [metatensor atomistic models](https://docs.metatensor.org/latest/atomistic/index.html) to execute arbitrary machine learning models, with the intended use case of using these models as collective variables in...

Add an interface to machine learning models through metatensor (`pair_style metatensor`)

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**Summary** This adds the ability to use [metatensor atomistic models](https://docs.metatensor.org/latest/atomistic/index.html) as machine learning (ML) potentials in LAMMPS. Metatensor is not related to any specific ML architecture, but rather define an...

Rascaline dynamically computes a lot of things depending on the systems it receives as input. When dealing with SOAP features (or anything else based on one-hot encoding of atomic species),...

JAX recently added a proper FFI, which removes the need to create Python bindings for the functions we want to call (removing the need for something like #107). See the...